17-Allyl-3,14β-dihydroxy-4,5α-epoxy-6α-(N-methoxy-3,4-dichlorophenylacetamido)morphinan | 204840-33-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 17-Allyl-3,14β-dihydroxy-4,5α-epoxy-6α-(N-methoxy-3,4-dichlorophenylacetamido)morphinan
• 英文别名: N-[(4R,4aS,7S,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-(3,4-dichlorophenyl)-N-methoxyacetamide
• CAS: 204840-33-5
• 化学式: C₂₈H₃₀Cl₂N₂O₅
• 分子量: 545.463
• InChiKey: YVNMHHZVGJDVJJ-MENBUCELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Morphinan hydroxamic acid compounds
  申请人：PFIZER INC.

  公开号：EP0829481A1

  公开（公告）日：1998-03-18

  This invention provides a compound of the following formula: and the pharmaceutically acceptable salts thereof, wherein R is hydrogen, C1-C5 alkyl or an O-protecting group; B is a dircet bond, C1-C5 alkylene or C2-C5 alkenylene; R1 is C1-C5 alkyl, C2-C5 alkenyl or C3-C7 cycloalkyl-C1-C3 alkyl; R2 is hydroxy or C1-C5 alkoxy; R3 is hydrogen, hydroxy or C1-C5 alkoxy; and R4 is hydrogen, phenyl or heteroaryl selected from furyl, thienyl and pyrrolyl, the phenyl and heteroaryl being optionally substituted by one to five substitutents selected from halo, hydroxy, C1-C3 alkyl, C1-C3 alkoxy and C2-C5 alkenyl. These compounds and pharmaceutical compositions containing such compounds are useful as analgesic, antiinflammatory, diuretic, anesthetic or neuroprotective agents, or an agent for stroke or treatment of functional bowel diseases such as abdominal pain, for the treatment of a mammalian subject, especially a human subject.

  本发明提供了下式化合物： 及其药学上可接受的盐，其中R是氢、C1-C5烷基或O-保护基；B是二元键、C1-C5亚烷基或C2-C5烯基；R1是C1-C5烷基、C2-C5烯基或C3-C7环烷基-C1-C3烷基；R2是羟基或C1-C5烷氧基；R3 是氢、羟基或 C1-C5 烷氧基；以及 R4 是氢、苯基或选自呋喃基、噻吩基和吡咯基的杂芳基，其中苯基和杂芳基可任选被一至五个选自卤代、羟基、C1-C3 烷基、C1-C3 烷氧基和 C2-C5 烯基的取代基取代。这些化合物和含有此类化合物的药物组合物可用作镇痛剂、抗炎剂、利尿剂、麻醉剂或神经保护剂，或中风或治疗功能性肠病（如腹痛）的药物，用于治疗哺乳动物，特别是人类。
• US5834478A
  申请人：——

  公开号：US5834478A

  公开（公告）日：1998-11-10